CHEBI:149432 - 6-de(cyclopropylamino)-6-(3-isopropoxyazetidin-1-yl)abacavir

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ChEBI Name 6-de(cyclopropylamino)-6-(3-isopropoxyazetidin-1-yl)abacavir ChEBI ID CHEBI:149432 Definition A 2,6-diaminopurine that is an analogue of abacavir in which the cyclopropylamino group at position 6 of the purine moiety is replaced by a 3-isopropoxyazetidin-1-yl group. One of a series of synthesised abacavir analogues with antiviral activity found to stimulate IFN-γ secretion in abacavir-responsive clones. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C17H24N6O2 Net Charge 0 Average Mass 344.419 Monoisotopic Mass 344.19607 InChI InChI=1S/C17H24N6O2/c1-10(2)25-13-6-22(7-13)15-14-16(21-17(18)20-15)23(9-19-14)12-4-3-11(5-12)8-24/h3-4,9-13,24H,5-8H2,1-2H3,(H2,18,20,21)/t11-,12+/m1/s1 InChIKey MALXRGLKOHFCJX-NEPJUHHUSA-N SMILES [C@H]1(C=C[C@@H](C1)N2C=3C(N=C2)=C(N=C(N3)N)N4CC(C4)OC(C)C)CO Roles Classification Biological Role(s): antiviral agent A substance that destroys or inhibits replication of viruses. View more via ChEBI Ontology ChEBI Ontology Outgoing 6-de(cyclopropylamino)-6-(3-isopropoxyazetidin-1-yl)abacavir (CHEBI:149432) has functional parent abacavir (CHEBI:421707) 6-de(cyclopropylamino)-6-(3-isopropoxyazetidin-1-yl)abacavir (CHEBI:149432) has role antiviral agent (CHEBI:22587) 6-de(cyclopropylamino)-6-(3-isopropoxyazetidin-1-yl)abacavir (CHEBI:149432) is a 2,6-diaminopurines (CHEBI:38001) IUPAC Name [(1S,4R)-4-(2-amino-6-{3-[(propan-2-yl)oxy]azetidin-1-yl}-9H-purin-9-yl)cyclopent-2-en-1-yl]methanol Synonym Source (1S,4R)-4-[2-amino-6-[3-(1-methylethoxy)-1-azetidinyl]-9H-purin-9-yl]-2-cyclopentene-1-methanol ChEBI Citation Type Source 31549414 PubMed citation Europe PMC Last Modified 08 April 2020